SCHEMBL25835641

SCHEMBL25835641

OC1c2cc(Br)ccc2N=C2CCCN21

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.49
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
ACHE P22303 3/20 0.34
BCHE P06276 1/20 0.34
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
NPY1R P25929 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Peganole SCHEMBL4111529 0.79 KLK7 (0.50) KLK7NOS3NOS1NOS2MEN1
SCHEMBL9380948 0.72 ACHE (0.39) KLK7LMNAACHE
SCHEMBL9379522 0.67 ACHE (0.44) KLK7NOS3NOS1NOS2MEN1
SCHEMBL8968427 0.65 ACHE (0.68) MEN1KMT2AALDH1A1LMNAACHE
SCHEMBL9380245 0.64 ACHE (0.33) LMNAACHE
SCHEMBL8969212 0.64 ACHE (0.70) MEN1KMT2AALDH1A1LMNAACHE
SCHEMBL8968413 0.62 ACHE (0.68) MEN1KMT2AALDH1A1LMNAACHE
SCHEMBL9380049 0.61 ACHE (0.51) KLK7ACHE
SCHEMBL8969429 0.61 KLK7 (0.56) KLK7ALDH1A1LMNAACHE
SCHEMBL8968355 0.61 NOS3 (0.42) NOS3NOS1NOS2ALDH1A1ACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023120452-A1 SREBP-1 INHIBITOR AND PHARMACEUTICAL COMPOSITION FOR TREATING HYPERTRIGLYCERIDEMIA 国立大学法人筑波大学 2023-06-29 WO disclosed